1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[1-(4-bromophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[1-(4-bromophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[1-(4-bromophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8007-6844 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[1-(4-bromophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 502.37 |
| Molecular Formula: | C20 H24 Br N9 O2 |
| Smiles: | C\C(c1ccc(cc1)[Br])=N/NC(c1c(CN2CCCCCC2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2728 |
| logD: | 2.7035 |
| logSw: | -3.3154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.507 |
| InChI Key: | ABILJWYPPYLYFZ-UHFFFAOYSA-N |